Stretch‐induced helix to extended coil transition of crystalline α phase isotactic polypropylene: A molecular dynamics study

2020 ◽  
Vol 3 (4) ◽  
Author(s):  
Subhadeep Pal ◽  
Nilanjan Mitra ◽  
Prodip Kumar Sarkar ◽  
Dipak Prasad
Keyword(s):  
Molecular Dynamics ◽  
Isotactic Polypropylene ◽  
Coil Transition ◽  
Α Phase

Memory effect of locally ordered α-phase in the melting and phase transformation behavior of β-isotactic polypropylene

Polymer ◽  
2003 ◽  
Vol 44 (14) ◽  
pp. 4053-4059 ◽  
Author(s):  
Kilwon Cho ◽  
D Nabi Saheb ◽  
Hoichang Yang ◽  
Byoung-Il Kang ◽  
Joonkyung Kim ◽  
...  
Keyword(s):  
Phase Transformation ◽  
Memory Effect ◽  
Isotactic Polypropylene ◽  
Transformation Behavior ◽  
Phase Transformation Behavior ◽  
Α Phase

A Molecular Dynamics Study on Pressure Dependence of Ag Diffusion in Ag3SI

2010 ◽  
Vol 72 ◽  
pp. 337-342
Author(s):  
Masakazu Yarimitsu ◽  
Masaru Aniya
Keyword(s):  
Molecular Dynamics ◽  
Diffusion Coefficient ◽  
High Temperature ◽  
Pressure Dependence ◽  
Distribution Functions ◽  
Intermediate Temperature ◽  
Β Phase ◽  
Α Phase ◽  
Method Of Molecular Dynamics ◽  
Pair Distribution Functions

The pressure dependence of the diffusion coefficient in the superionic α- and β-phases of Ag3SI has been studied by using the method of molecular dynamics. It is shown that in the high temperature α-phase, the Ag diffusion coefficient decreases with pressure. On the hand, in the intermediate temperature β-phase, the Ag diffusion coefficient exhibits a maximum at around 2.8 GPa. The structural origin of this behavior is discussed through the pressure dependence of the pair distribution functions.

Mild lipid extraction and anisotropic cell membrane penetration of α-phase phosphorene carbide nanoribbons by molecular dynamics simulation studies

2020 ◽  
Vol 22 (40) ◽  
pp. 23268-23275
Author(s):  
Yang Liu ◽  
Yanmei Yang ◽  
Yuanyuan Qu ◽  
Yong-Qiang Li ◽  
Mingwen Zhao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Cell Membrane ◽  
Lipid Extraction ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Membrane Penetration ◽  
Α Phase ◽  
Zigzag Direction ◽  
Armchair Direction

α-PC penetrates the interior of membrane efficiently only along its zigzag direction rather than its armchair direction.

Crystal ordering of α phase isotactic polypropylene

Polymer ◽  
2001 ◽  
Vol 42 (12) ◽  
pp. 5471-5477 ◽  
Author(s):  
M. Naiki ◽  
T. Kikkawa ◽  
Y. Endo ◽  
K. Nozaki ◽  
T. Yamamoto ◽  
...  
Keyword(s):  
Isotactic Polypropylene ◽  
Α Phase
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